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2-BETA,3-BETA,6-ALPHA,22R,25-PENTAHYDROXY-5-BETA-CHOLEST-8,14-ENE;METABOLITE-E1-3
SpectraBase Compound ID 263wG7zcrrI
InChI InChI=1S/C27H46O6/c1-24(2,32)10-9-23(31)27(5,33)22-7-6-16-15-12-19(28)18-13-20(29)21(30)14-26(18,4)17(15)8-11-25(16,22)3/h17-23,28-33H,6-14H2,1-5H3/t17-,18-,19-,20+,21-,22-,23+,25-,26+,27?/m0/s1
InChIKey IHKGZQPJAYWPLE-JQJFHOFTSA-N
Mol Weight 466.7 g/mol
Molecular Formula C27H46O6
Exact Mass 466.329439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPFxxh8zJ0G
Name 2-BETA,3-BETA,6-ALPHA,22R,25-PENTAHYDROXY-5-BETA-CHOLEST-8,14-ENE;METABOLITE-E1-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H46O6
InChI InChI=1S/C27H46O6/c1-24(2,32)10-9-23(31)27(5,33)22-7-6-16-15-12-19(28)18-13-20(29)21(30)14-26(18,4)17(15)8-11-25(16,22)3/h17-23,28-33H,6-14H2,1-5H3/t17-,18-,19-,20+,21-,22-,23+,25-,26+,27?/m0/s1
InChIKey IHKGZQPJAYWPLE-JQJFHOFTSA-N
Literature Reference Author S.KUMPUN,J.P.GIRAULT,L.DINAN,C.BLAIS,A.MARIA,C.DAUPHIN-VILLE MANT,B.YINGYONGNARON
Literature Reference Citation J.ST.BIO.MOL.BIOL.,126,1(2011)
Literature Reference DOI 10.1016/j.jsbmb.2011.03.016
Molecular Weight 466.659 g/mol
Solvent H2O:D2O
Source File Reference UWLU78595